General Topics


Announcement's Replies Views Last Action
bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 12336 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 2578910111213Next 25Last
Thread Title Replies Views Last Action
theory vs sptheory
3 992 Sep 7th 3:25 pm
Bjhanson
NMR using TPSS and TPSSh with ZORA
1 1006 Sep 6th 8:47 am
Sean
Static electric fields
1 1460 Sep 2nd 8:57 am
Cgladue
Pipek-Mezey localization output is not documented
4 1169 Aug 30th 11:57 am
Den59
How to use semiempirical methods?
0 1388 Aug 29th 10:39 pm
Daniel Alher
Access DFT solution coefficients for LCAO from python
9 1829 Aug 29th 1:34 pm
Den59
How to deduce "phase factor" or "fermion sign"?
0 834 Aug 23rd 7:32 am
Frank
Slow Frequency Calculations
0 1443 Aug 12th 7:51 am
D722r894
Electron density.cube file
1 1883 Jul 27th 7:34 am
Sean
DFT convergence issues
1 1646 Jul 27th 7:30 am
Sean
dft directive help required
0 1044 Jul 13th 5:54 am
Neo
Is it eligible to use the combination of DKH and SODFT
1 1312 Jul 6th 10:21 am
Edoapra
Merz-kollman charges
0 2007 Jun 29th 8:19 pm
Mlozano
Are these definitions correct for the functionals I am trying to define?
9 9029 Jun 22nd 9:59 am
Niri
Geometry optimization along one particular axis
0 1068 Jun 20th 2:34 pm
Nwchemy
How to optimized a metal organic framework with a large ligand?
0 985 Jun 18th 1:41 pm
Holyriver6
Geometry optimization with dispersion correction vdw 3
3 1712 Jun 15th 9:39 am
Edoapra
scf convergence fails for Uranium based coordination compounds
9 1640 Jun 10th 6:08 am
Danielreta
Raman Spectrum of carbon chains: How to identify the vibrational modes
1 1756 Jun 6th 12:54 pm
Alarcj
Segmentation Violation error, status=: 11
1 1004 Jun 3rd 3:43 pm
Frank.ramirez
reference for LC-PBE
1 1827 May 25th 2:13 pm
Niri
Inline specification of basis set
2 1110 May 20th 3:29 am
Danielreta
bonds and angles energy of unusually chemical compound
1 1199 May 17th 8:54 am
KAZat
Two bugs affecting ZMATRIX directive
2 1544 May 13th 1:36 am
Marcof
problem with compilation
5 1372 May 11th 11:10 am
Edoapra

Forum >> NWChem's corner >> General Topics
Jump to page 1Prev 2578910111213Next 25Last